Structure of PDB 4ex4 Chain A Binding Site BS02

Receptor Information
>4ex4 Chain A (length=684) Species: 561304 (Mycobacterium leprae Br4923) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRVSAGNLRVARVLYDFVNNEALPGTDINPNSFWSGVAKVVADLTPQNQS
LLNSRDELQAQIDKWHRHRVIFDVDAYRQFLIDIGYLLPEPDDFTISTSG
VDDEITMTAGPQLVVPVLNARFALNAANARWGSLYDALYGTDTIPETESE
YNKIRGDKVIAYARKFMDQAVPLASSWTNATGVSQLQIAASPEKFVGYNV
LLANHGLHIEVLIKDVILESAITTIMDFEDSVTAVDADDKVRGYRNWLGL
NKGDLTEEVNKDGKTFTRVLNADRSYTTPDGGELTLPGRSLLFVRNVGHL
TTSDAILVDGGDGQEKEVFEGIIDAVFTGLAAIHGLKTGEANGPLTNSRT
GSIYIVKPKMHGPAEVAFTCELFSRVEDVLGLPQGTLKVGIMDEERRTTL
NLKACIKAAADRVVFINTGFLDRTGDEIHTSMEAGPMIRKGAMKNSTWIK
AYEDANVDIGLAAGFKGKAQIGKGMWAMTELMADMVEQKIGQPKAGATTA
WVPSPTAATLHAMHYHQVDVAAVQQELTGQRRATVDQLLTIPLAKKLAWA
PEEIREEVDNDCQSILGYVVRWVDQGIGCSKVPDIHNVALMEDRATLRIS
SQLLANWLRHGVITSEDVRASLERMAPLVDQQNAEDPAYRPMAPNFDDSI
AFLAAQELILSGAQQPNGYTEPILHRRRREFKAQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4ex4 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ex4 The Structure of GlcB from Mycobacterium leprae
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N296 K297 H379 N387 L390
Binding residue
(residue number reindexed from 1)		N251 K252 H334 N342 L345
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D272 E274 R340 E439 D467 D638
Catalytic site (residue number reindexed from 1) D227 E229 R295 E394 D422 D593
Enzyme Commision number 2.3.3.9: malate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004474 malate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0009436 glyoxylate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ex4, PDBe:4ex4, PDBj:4ex4
PDBsum4ex4
PubMed
UniProtB8ZSN3|MASZ_MYCLB Malate synthase G (Gene Name=glcB)

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